N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide

C12H14ClN5O2 — CID 96568608

IUPACN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
SMILESCO[C@@H](CNC(=O)Cn1cnnn1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN5O2/c1-20-11(9-3-2-4-10(13)5-9)6-14-12(19)7-18-8-15-16-17-18/h2-5,8,11H,6-7H2,1H3,(H,14,19)/t11-/m0/s1
InChIKeyOIYWTPMENAAHMS-NSHDSACASA-N
MW295.73 g/mol
LogP0.83
Rot. Bonds6

About N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide

N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide (PubChem CID 96568608) has the molecular formula C12H14ClN5O2 and a molecular weight of 295.73 g/mol. Its IUPAC name is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
PubChem CID96568608
Molecular FormulaC12H14ClN5O2
Molecular Weight295.73 g/mol
Exact Mass295.08
IUPAC NameN-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide
SMILESCO[C@@H](CNC(=O)Cn1cnnn1)c1cccc(Cl)c1
InChIInChI=1S/C12H14ClN5O2/c1-20-11(9-3-2-4-10(13)5-9)6-14-12(19)7-18-8-15-16-17-18/h2-5,8,11H,6-7H2,1H3,(H,14,19)/t11-/m0/s1
InChIKeyOIYWTPMENAAHMS-NSHDSACASA-N
XLogP0.83
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.73
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-N-[2-(3-chlorophenyl)-2-methoxyethyl]acetamide;hydrochloride
CID 119337049
N-[2-(3-chlorophenyl)-2-methoxyethyl]-4-(methylamino)butanamide
CID 119807214
2-phenyl-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 62883661
2-methoxy-3-[[2-(tetrazol-1-yl)acetyl]amino]propanoic acid
CID 106107321
(2S)-N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylsulfanylpropanamide
CID 96517717
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-3-(1,3-thiazol-4-yl)propanamide
CID 96517723
1-[2-(3-chlorophenyl)-2-methoxyethyl]-3-(3-hydroxy-4-methylpentyl)urea
CID 111508956
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-imidazo[2,1-b][1,3]thiazol-6-ylacetamide
CID 96568619
N-[2-(3-chlorophenyl)-2-methoxyethyl]-2-cyano-2-methylpropanamide
CID 71993870
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-5-methylpyrazine-2-carboxamide
CID 96568600
3-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-1-cyclopropyl-1-methylurea
CID 95969088
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 96568623

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide?
The IUPAC name of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide (CID 96568608) is N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide?
The canonical SMILES for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide is CO[C@@H](CNC(=O)Cn1cnnn1)c1cccc(Cl)c1.
What is the InChIKey of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide?
The InChIKey is OIYWTPMENAAHMS-NSHDSACASA-N. The full InChI is InChI=1S/C12H14ClN5O2/c1-20-11(9-3-2-4-10(13)5-9)6-14-12(19)7-18-8-15-16-17-18/h2-5,8,11H,6-7H2,1H3,(H,14,19)/t11-/m0/s1.
What are the key properties of N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide?
N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide has a molecular weight of 295.73 g/mol, XLogP of 0.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(3-chlorophenyl)-2-methoxyethyl]-2-(tetrazol-1-yl)acetamide is sourced from PubChem (CID 96568608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).